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LiNbO3
Journal of Physical Chemistry C · 2026 · IF 3.4

Double-Atom Substitution for Suppressing the THz Absorption of LiNbO3

Jiale Shan,Jinlei Cheng,Jinfeng Yang,Chencheng Zhao,Xiaoming Yang,Shilie Pan,Feng Zhang

Lithium niobate (LiNbO3, LN) is a cornerstone inorganic nonlinear optical crystal for high-field terahertz (THz) generation. However, its application in broadband and high-frequency regimes is severely hindered by a low laser damage threshold and strong intrinsic phonon absorption above 4.5 THz. In this work, we propose a material-design strategy based on double-atom substitution to address these limitations. By synergistically replacing two Nb5+ cations with one tetravalent Ge4+ and one hexavalent Te6+, we synthesized Li2GeTeO6 (LGT), which possesses a structural framework closely related to LN but with the space group symmetry reduced from R3c to R3. A previous study has reported that LGT achieves a laser damage threshold of 1725 MW/cm2, approximately 17 times higher than that of conventional LN (Wang, D.; Zhang, Y.; Liu, Q.; Zhang, B.; Yang, D.; Wang, Y., Band Gap Modulation and Nonlinear Optical Properties of Quaternary Tellurates Li2GeTeO6. Dalton Trans. 2022, 51, 8955–8959). Through an interplay between far-infrared spectroscopy and density functional theory calculations, we further demonstrate that LGT remarkably extends the THz transparency window to 10.76 THz. Quantitative mode analysis reveals that the suppression of THz absorption originates from the near-complete cancellation of Born charge vectors associated with the opposing translational motions of Ge4+ and Te6+ ions in a simulated THz mode at 4.85 THz. Nevertheless, the Ge4+ and Te6+ cations are not Jahn–Teller active as the Nb5+ cations, consequently leading to an order-of-magnitude reduction of the nonlinear optical effect. Despite an intrinsic trade-off between absorption suppression and nonlinearity, this study elucidates the structure–property relationships of LN family materials and provides guidance for the rational design of next-generation high-performance and broadband THz source materials.

CAS / MDL: 1313-96-8 554-13-2
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CHEMISTRY OF MATERIALS · 2022 · IF 10.508

Chemical-Mechanical Effects in Ni-Rich Cathode Materials

Shouyi Yin,Hongyi Chen,Jun Chen,Abouzar Massoudi,Wentao Deng,Xu Gao,Shu Zhang,Ying Wang,Tsung-Wu Lin,Craig E. Banks,Shi-zhang Qiao,Guoqiang Zou,Hongshuai Hou,Xiaobo Ji

The implementation of Ni-rich cathodes with high energy density has been critically restrained by stress corrosion. Herein, crack-free LiNbO3-coated LiNi0.88Co0.10Mn0.02O2, as theoretically predicted, demonstrates highly reversible lithiation/delithiation. Mechanically, the phase transition (H1 → H2 → H3) is significantly alleviated by the excogitation of the interfacial force invoked by the LiNbO3 coating layer, as verified by X-ray absorption spectroscopy and extended X-ray absorption near-edge structure spectroscopy. Meanwhile, the stabilities of the crystal structure are remarkably strengthened by the strong Nb–O bond activated by Nb5+ doping that is confirmed by Rietveld refinement of X-ray diffraction and differential capacitance curves. Chemically, the interface shielding effect is conducive to protecting the electrode against electrolyte corrosion along with subsequent transition-metal dissolution, ultimately rendering a faster/highly convertible lithium-ion diffusion. Greatly, the excellent electrochemical properties (74% capacity retention after 300 cycles at 2 C within 2.5–4.3 V) and structural stability (the morphology remains intact after 500 cycles at 5 C within 2.5–4.3 V) are successfully achieved. Given this, this elaborate work might inaugurate a potential avenue for rationally tuning the structure/interface evolution toward Ni-rich materials.

研究领域: 材料科学 · 电化学 · 能源存储
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CERAMICS INTERNATIONAL · 2024 ·Vol. 50 ·期 17 ·30093-30099 · IF 5.1

Tunability of radioluminescence in LiNbO3:Pr polycrystals via lithium-to-niobium ratio

Chenwei Xiong,Rui Hao,Huashan Li,Shaopeng Lin,Decai Ma

X-ray excited radioluminescence was demonstrated in Pr-doped lithium niobate polycrystalline samples with varying lithium-to-niobium ratios (R LN ). The samples' phase structures, excitation and emission spectra , and radioluminescence were experimentally analyzed to investigate the tuning effects of R LN . Theoretical calculations based on Density Functional Theory (DFT) were conducted to elucidate the underlying mechanisms, and thermoluminescence curves were measured to verify the predictions of the theoretical analysis. We suggest that both photoluminescence and radioluminescence properties can be effectively tailored by adjusting the crystal structure, as well as the depth and density of electron traps within the LiNbO 3 :Pr matrix through R LN modulation. This research contributes to the development and practical implementation of scintillation materials derived from rare-earth-doped lithium niobate .

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Journal of Materiomics · 2023 ·Vol. 10 ·期 5 ·995-1003 · IF 9.4

Enhanced piezoelectric properties and thermal stability of LiNbO3-modified PNN–PZT ceramics

Wei Peng,Jianglei Chang,Jianwei Zhao,Dawei Wang,Zhen Liu,Genshui Wang,Shuxiang Dong

Piezoelectric PZT ceramics with high piezoelectric properties and good thermal stability are urgently desired concerning the practical application. New compositions of LiNbO 3 modified Pb(Ni 1/3 Nb 2/3 )O 3 PbZrO 3 PbTiO 3 ceramics have been prepared in this study. The effects of the introduction of the LiNbO 3 on the system were comprehensively investigated in terms of the phase structure, microstructure, electric properties, and thermal stability behavior of the ceramics. All compositions are located in the morphotropic phase boundary (MPB) region, and the ratio of the rhombohedral (R) phase increases obviously with the increase of LiNbO 3 concentration. With increasing the LiNbO 3 content, the piezoelectric properties were significantly enhanced. The sample added with 2% (in mole) LiNbO 3 shows excellent electric properties, including T m  = 185 °C, ε r  = 5,643, k p  = 0.626, Q m  = 51, d 33  = 902 pC/N. More importantly, no thermal depolarization behavior was observed in the temperature range of 25–100 °C. For PNN-PZT- x %LN ceramics, which is mainly attributed to the pinning effect resulted by the Li Pb ' − Nb Zr/Ti ∙ defect dipoles.

研究领域: 材料科学 · 功能陶瓷 · 压电材料 · 固态物理 · 电子材料
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ELECTROCHIMICA ACTA · 2014 · IF 4.086

Bio-inspired Formation of Mesoporous LiNbO3 Nanotubes and Application for Glucose Biosensor

Bin Cai,Minggang Zhao,Ye Ma,Zhizheng Ye,Jingyun Huang

LiNbO 3 nanotubes are prepared by biotemplate-assisted synthetic route. The mesoporous LiNbO 3 nanotubes can be an ideal platform to immobilize glucose oxidase (GOx) for glucose biosensing. As the GOx-biocatalyzed oxidation of glucose yield H 2 O 2 , and LiNbO 3 can direct catalyze the generated H 2 O 2 . What's more, one dimensional channels will facilitate the diffusion of reactants and ensure adequate contact between glucose and enzymes. Thus the as-prepared biosensor exhibit high sensitivity (52.4   μA·mM −1 ·cm −2 ), fast response (<2   s) and excellent selectivity to glucose. The results suggest the potential implementation of LiNbO 3 as a sensing platform for electrochemical detection of biology reagents.

CAS / MDL: 9012-76-4 7722-84-1
研究领域: 材料科学 · 纳米技术 · 生物传感器 · 电化学
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INORGANIC CHEMISTRY COMMUNICATIONS · 2023 · IF 3.8

Hydrothermal synthesis and upconversion luminescence of cubic-shaped LiNbO3:Yb3+/Er3+ nanocrystals

Xinyu Tian,Qunchao Qi,Bin Hou,Yannan Qian

We exploited a simple hydrothermal route without adding organic additives or hard templates to synthesize cubic-shaped LiNbO 3 :Yb 3+ /Er 3+ with the size of 400–500 nm. Based on the time-dependent investigation on the crystal structure and morphology, Yb(NO 3 ) 3 and Er(NO 3 ) 3 not only could emit green and red upconversion (UC) emission but also could be used as an etchant to increase dissolution rate of the Nb 2 O 5 raw material in the hydrothermal synthesis route. Without addition of Yb 3+ /Er 3+ ions, LiNbO 3 phase could not be formed at even hydrothermal time of 48 h. The time-dependent Raman spectra showed the Raman peaks of LiNbO 3 were occurred at the reaction time of 48 h, and the impurity Nb 2 O 5 phase was disappeared with lengthening hydrothermal time. After calcining at 1050 °C for 2  h, the new Raman peaks at 440/487/531/552 cm −1 and the disappeared OH – absorption peaks at 3429 and 1628 cm −1 favored to produce the bright UC emissions in LiNbO 3 :Yb 3+ /Er 3+ nanocrystals. The pump power dependence and UC mechanism were studied under 980 nm excitation.

研究领域: 材料科学 · 光学
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CHEMISTRY OF MATERIALS · 2020 · IF 9.567

Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure

Yifeng Han,Chuanhui Zhu,Yi Peng,Shufang Li,MeiXia Wu,Shuang Zhao,Zheng Deng,Changqing Jin,Wei Du,David Walker,Man-Rong Li

LiNbO3 (LN)-type polar magnets are technologically important but require stringent and costly high-pressure synthesis with very limited sample yields. We develop a chemical strategy to reduce the physical synthesis pressure. LN-type polar magnets require 7 GPa to stabilize in the high-pressure Mn2FeNbO6 (MFNO) phase. Here, MFNO was successfully stabilized in the isostructural LN matrix at intermediate physical pressure (below 5 GPa) at gram levels for each run by dilution with LN according to (Li1–xMnx)(Fex/2Nb1–x/2)O3 (x = 0.18, 0.33, 0.46, 0.57). LN-diluted MFNO demonstrates ferromagnetism above room-temperature (magnetic ordering temperature TC ≈ 516–554 K) and has large estimated spontaneous polarization (PS ≈ 18–63 μC/cm2). Irreversible c-axis near-zero thermal expansion stemming from magnetostriction was observed around the magnetic transition temperature region upon heating at ambient pressure, which irreversibly elongates the distance between the face-sharing (Li/Mn) and (Fe/Nb) octahedral centroids along the c-axis and thus weakens the magnetic interactions. The magnetic ordering temperature drops in the annealed samples. The findings in (Li1–xMnx)(Fex/2Nb1–x/2)O3 show that polar magnets can be made by chemical pressure together with soft physical pressure and shed light on large-scale and lower cost stabilization of high-pressure phases.

研究领域: 材料科学 · 凝聚态物理 · 磁性材料 · 铁电材料 · 高压合成
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CERAMICS INTERNATIONAL · 2019 · IF 3.45

Phase evolution and electric properties of 5 mol. % LiNbO3 doped xBiScO3–(95-x)PbTiO3 ceramics

Querui Hu,Yiping Wang,Kang Yan,Lang Chen,Guoliang Yuan,Jing Chen,Ying Yang

The structure and electric properties of 5 mol. % LiNbO 3 doped x BiScO 3 –(95- x )PbTiO 3 (5LN– x BS–(95- x )PT, 26 ≤  x  ≤ 41 mol. %) ceramics have been systematically investigated. The composition-, temperature- and electric-field-dependent phase transitions were established carefully by the temperature-dependent dielectric measurements. The results verified that the 5LN– x BS–(95- x )PT system transformed to nonergodic relaxors (NR) phase gradually from normal ferroelectrics (FE) phase with the addition of BiScO 3 contents. With the increase of temperature, ergodic relaxors (ER) phase was observed before the phase transition from FE and/or NR to paraelectrics (PE) phase. By comparing the dielectric responses of the ceramics before and after polarization, it was confirmed that the electric field could induce a phase transition from NR to FE while the ceramics were polarized, which was attributed to the growth of the dipole clusters and the permutation of the macroscopical ferroelectric order under the external electric field. The phase diagram of 5LN– x BS–(95- x )PT system was then built and the morphotropic phase boundary (MPB) between tetragonal and rhombohedral phase of the system was identified at 34 ≤  x  ≤ 36. The optimal properties were found at the composition of 5LN–34BS–61PT ceramic with piezoelectric coefficient d 33 value of 514 pC/N, planar electromechanical coupling factor k p of 0.47, relative dielectric constant ε r of 2511, and remnant polarization P r of 37.4 μC/cm 2 . The displayed piezoelectric properties could provide alternative compositions with less lead contents comparing with the Pb(Zr, Ti)O 3 based piezoceramics.

研究领域: 材料科学 · 陶瓷材料 · 电介质物理
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JOURNAL OF LUMINESCENCE · 2024 · IF 3.3

Tunable effect on persistent luminescence via lithium-to-niobium ratio in LiNbO3: Pr polycrystals

Chenwei Xiong,Rui Hao,Kewen Tao,Huashan Li,Shaopeng Lin,Decai Ma

This study has demonstrated that lithium niobate doped with praseodymium (LiNbO 3 :Pr), which initially did not exhibit persistent luminescence(PersL), can display significant PersL performance through the modulation of the lithium-to-niobium ratio (R LN ). By adjusting the R LN to 1, LiNbO 3 :Pr achieved enhanced PersL, lasting several minutes, with the afterglow's duration further influenced by the R LN . Thermoluminescence (TL) assays and energy diagram analyses have elucidated that the presence and depth of oxygen vacancy defects are critical for both the emergence and longevity of PersL LiNbO 3 :Pr polycrystals . These insights enhance the understanding of PersL mechanisms in lithium niobate crystals and highlight their potential for application in optical information storage.

研究领域: 材料科学 · 光学工程
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JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS · 2023 · IF 4

A novel synthesis for the preparation of LiNbO3 powder with high piezoelectric catalytic performance

Dongyang Jiang,Weida Chen,Yuxian Duan,Zhi Li,Zechen Xiao,Yuhan Jing,Qianxu Ye,Liexing Zhou,Mingjun Wang,Jinming Cai

The traditional method for producing lithium niobate (LiNbO 3 ) powder is based primarily on a solid-state reaction, which has a high energy consumption and low efficiency, requiring long periods of insulation at a high temperature of 1000–1300 °C. In this work, high-purity and high-crystallinity LiNbO 3 powder was prepared by using niobium pentoxide (Nb 2 O 5 ) and lithium fluoride (LiF) at 800 °C for 0.5 h. Interestingly, the prepared LiNbO 3 powder demonstrated exceptional piezoelectric catalytic degradation performance and reusability. Under the influence of ultrasonic waves , the LiNbO 3 powder achieved complete degradation of Rhodamine B (RhB) within a remarkably short duration of 20 min, with a reaction rate constant of 0.2702 min −1 , which was 7.9 times larger than that of commercial LiNbO 3 (0.03416 min −1 ). Furthermore, even after undergoing six degradation cycles, the powder maintained its high degradation efficiency. Active substance trapping and detection experiments revealed the presence of hydroxyl radicals (•OH) and superoxide radicals (•O 2 − ) with potent oxidizing capabilities during the piezoelectric catalysis process, affirming their pivotal roles in the degradation of RhB. The energy-saving and efficient method employed in acquiring LiNbO 3 would provide an exciting pathway towards the development of efficient catalysts for organic wastewater treatment, fueled by clean energy sources.

研究领域: 材料科学 · 环境科学 · 催化化学
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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS · 2018 ·Vol. 29 ·期 21 ·18036-18044 · IF 2.324

Effects of LiNbO3 doping on the microstructures and electrical properties of BiScO3–PbTiO3 piezoelectric system

Hu Querui,Wang Yiping,Wu Lei,Yin Jiang,Chen Lang,Yuan Guoliang,Yang Ying

Piezoelectric ceramics x LiNbO 3 – y BiScO 3 –(1− x − y )PbTiO 3 (LN–BS–PT, 0.00 ≤  x  ≤ 0.10, 0.30 ≤  y  ≤ 0.36) were synthesized and their phase diagram and morphotropic phase boundary between rhombohedral and tetragonal phases have been confirmed. The optimal properties were found at the composition of 0.03LN–0.36BS–0.61PT with piezoelectric coefficient d 33 * value of 702 pm/V, d 33 of 551 pC/N, planar electromechanical coupling factor k p of 0.51, remnant polarization P r of 46.5 µC/cm 2 , Curie temperature T c of 337 °C, and a large strain of 0.351% at an electric field of 50 kV/cm and frequency of 2 Hz with a low strain hysteresis of 5.9%. The Curie temperature of the ternary system presents a linear relationship with LiNbO 3 and BiScO 3 contents. The optimization of these electric properties was probably ascribed to the enhancement in domain walls and the improving mobility of domain switching due to LiNbO 3 doping.

研究领域: 材料科学 · 物理学
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ACS Applied Materials & Interfaces · 2026 · IF 8.2

LiNbO3-Mediated Dielectric Polarization Tailoring at Polymer Electrolyte Interfaces for Dendrite-Free Lithium Metal Batteries

Zhixuan Wang,Shubo Fan,Libo Li,Hang Yang,Suo Li

Lithium–metal batteries (LMBs) face critical challenges in interfacial instability and dendritic growth, despite their high theoretical capacity. To address these issues, we designed an interface layer containing LiNbO3 crystals to modify the polymer electrolyte, achieving uniform deposition of lithium ions. This design innovatively integrates electrostatic screening and field-guided ion transport mechanisms─unique to LiNbO3 dielectric polarization materials─achieving unprecedented homogeneous Li+ flux distribution while catalytically mediating the formation of a dual-functional LiF/Li3N-rich solid electrolyte interphase (SEI). Notably, the Li3N component synergistically enhances ion diffusion, while LiF mechanically suppresses dendrites, synergizing physicochemical stabilization where conventional SPEs fail. The optimized LN-SPE demonstrates exceptional ionic conductivity of 4.92 × 10–4 S cm–1 and Li+ transference number of 0.67 at RT, enabling an assembled SSLMB to deliver 138.1 mAh g–1 at 0.5 C with ultrahigh capacity retention of 94.42% after 100 cycles, while maintaining 142.4 mAh g–1 at 1 C. Crucially, the sustained dielectric polarization activity ensures long-term interfacial integrity, positioning this work as a paradigm-shifting approach for electroceramic-polymer hybrids with scalable manufacturing pathways, thus offering transformative solutions for next-generation high-energy-density batteries.

CAS / MDL: 9011-17-0
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